Example: Electric Field: PtCO¶
#! /bin/sh
$AMSBIN/ams <<eor
System
Atoms
Pt 0 0 0
C 0 0 1.70
O 0 0 2.85
End
ElectrostaticEmbedding
ElectricField 0 0 0.01 [a.u.]
End
end
Task SinglePoint
Engine ADF
title Pt-CO in electric field
beckegrid
quality good
end
basis
Core None
Type DZ
PerAtomType Symbol=Pt File=DZ/Pt.4d
end
symmetry C(LIN)
scf
converge 1.0E-10
end
EndEngine
eor